SCHEMBL21164489

SCHEMBL21164489

CC(C)NCC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
EPHX2 P34913 4/20 0.53
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 4/20 0.51
EPHX1 P07099 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
KDM4E B2RXH2 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24209092 0.77 ATM (0.55) ATMEPHX2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8403724 0.76 EPHX2 (0.66) ATMEPHX2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1677807 0.75 ATM (0.70) ATMEPHX2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11571847 0.74 EPHX2 (0.59) ATMEPHX2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL23884204 0.74 EPHX2 (0.61) EPHX2KMT2ASMN1; SMN2ALDH1A1EPHX1
SCHEMBL15310135 0.73 EPHX2 (0.50) ATMEPHX2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10923735 0.73 EPHX2 (0.77) EPHX2KMT2ASMN1; SMN2ALDH1A1EPHX1
SCHEMBL14503293 0.73 EPHX2 (0.67) EPHX2KMT2ASMN1; SMN2ALDH1A1EPHX1
SCHEMBL13320024 0.72 EPHX2 (0.59) EPHX2KMT2ASMN1; SMN2ALDH1A1EPHX1
SCHEMBL5807144 0.72 EPHX2 (0.59) EPHX2KMT2ASMN1; SMN2ALDH1A1EPHX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 ATM 3321/4885EPHX2 1507/4885KMT2A 2512/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 ATM 3321/4885EPHX2 1507/4885KMT2A 2512/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.